2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol

C36H34O4 — CID 73334664

About 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol

2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol (PubChem CID 73334664) has the molecular formula C36H34O4 and a molecular weight of 530.66 g/mol. Its IUPAC name is 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol.

Molecular Properties

• Compound Name: 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol
• PubChem CID: 73334664
• Molecular Formula: C36H34O4
• Molecular Weight: 530.66 g/mol
• Exact Mass: 530.25
• IUPAC Name: 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol
• SMILES: C=CCc1ccc(Oc2cc(CC=C)cc(-c3ccc(O)c(CC=C)c3)c2O)c(-c2ccc(O)c(CC=C)c2)c1
• InChI: InChI=1S/C36H34O4/c1-5-9-24-13-18-34(30(19-24)26-14-16-32(37)28(22-26)11-7-3)40-35-21-25(10-6-2)20-31(36(35)39)27-15-17-33(38)29(23-27)12-8-4/h5-8,13-23,37-39H,1-4,9-12H2
• InChIKey: HHIHLTZXYWXIPN-UHFFFAOYSA-N
• XLogP: 8.84
• TPSA: 69.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.66
LogP ≤ 5	8.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol?

The IUPAC name of 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol (CID 73334664) is 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol.

What is the SMILES notation for 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol?

The canonical SMILES for 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol is C=CCc1ccc(Oc2cc(CC=C)cc(-c3ccc(O)c(CC=C)c3)c2O)c(-c2ccc(O)c(CC=C)c2)c1.

What is the InChIKey of 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol?

The InChIKey is HHIHLTZXYWXIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O4/c1-5-9-24-13-18-34(30(19-24)26-14-16-32(37)28(22-26)11-7-3)40-35-21-25(10-6-2)20-31(36(35)39)27-15-17-33(38)29(23-27)12-8-4/h5-8,13-23,37-39H,1-4,9-12H2.

What are the key properties of 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol?

2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol has a molecular weight of 530.66 g/mol, XLogP of 8.84, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-hydroxy-3-prop-2-enylphenyl)-6-[2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenoxy]-4-prop-2-enylphenol is sourced from PubChem (CID 73334664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).